2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole

C10H10BrN3O — CID 146446478

IUPAC2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2ccnc(Br)c2)o1
InChIInChI=1S/C10H10BrN3O/c1-6(2)9-13-14-10(15-9)7-3-4-12-8(11)5-7/h3-6H,1-2H3
InChIKeyURDZSYAONICBDG-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.02
Rot. Bonds2

About 2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole

2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 146446478) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID146446478
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2ccnc(Br)c2)o1
InChIInChI=1S/C10H10BrN3O/c1-6(2)9-13-14-10(15-9)7-3-4-12-8(11)5-7/h3-6H,1-2H3
InChIKeyURDZSYAONICBDG-UHFFFAOYSA-N
XLogP3.02
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 54593869
2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530677
2-bromo-4-(4-propan-2-ylphenyl)pyridine
CID 83744883
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 155225982
2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 169163359
4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 90026926
2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530681
5-bromo-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 90273289
2-(4-nitrophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 11264781
2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 53017496
2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine
CID 10841592
6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-3-amine
CID 146552784

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole (CID 146446478) is 2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(-c2ccnc(Br)c2)o1.
What is the InChIKey of 2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is URDZSYAONICBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-6(2)9-13-14-10(15-9)7-3-4-12-8(11)5-7/h3-6H,1-2H3.
What are the key properties of 2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 268.11 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 146446478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).